4-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-1-ol

C10H14ClN3O3 — CID 103888945

IUPAC4-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-1-ol
SMILESCC(CCCO)Nc1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C10H14ClN3O3/c1-7(3-2-4-15)12-10-6-8(14(16)17)5-9(11)13-10/h5-7,15H,2-4H2,1H3,(H,12,13)
InChIKeyRRKYOTXKQHKXDB-UHFFFAOYSA-N
MW259.69 g/mol
LogP2.22
Rot. Bonds6

About 4-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-1-ol

4-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-1-ol (PubChem CID 103888945) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 4-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-1-ol.

Molecular Properties

Compound Name4-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-1-ol
PubChem CID103888945
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name4-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-1-ol
SMILESCC(CCCO)Nc1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C10H14ClN3O3/c1-7(3-2-4-15)12-10-6-8(14(16)17)5-9(11)13-10/h5-7,15H,2-4H2,1H3,(H,12,13)
InChIKeyRRKYOTXKQHKXDB-UHFFFAOYSA-N
XLogP2.22
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[4-(furan-2-yl)butan-2-yl]-4-nitropyridin-2-amine
CID 103888310
6-chloro-4-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine
CID 103888459
6-chloro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 113345983
2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol
CID 103888263
6-chloro-4-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 103888375
1-[(6-chloro-4-nitro-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 113346459
1-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-3-ol
CID 103888980
4-[(6-chloro-2-phenylpyrimidin-4-yl)amino]pentan-1-ol
CID 115914889
3-chloro-N-(5-hydroxypentan-2-yl)-5-nitrobenzamide
CID 81002754
(3S)-3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol
CID 126987059
3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol
CID 104924371
6-chloro-4-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
CID 114159167

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-1-ol?
The IUPAC name of 4-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-1-ol (CID 103888945) is 4-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-1-ol.
What is the SMILES notation for 4-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-1-ol?
The canonical SMILES for 4-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-1-ol is CC(CCCO)Nc1cc([N+](=O)[O-])cc(Cl)n1.
What is the InChIKey of 4-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-1-ol?
The InChIKey is RRKYOTXKQHKXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c1-7(3-2-4-15)12-10-6-8(14(16)17)5-9(11)13-10/h5-7,15H,2-4H2,1H3,(H,12,13).
What are the key properties of 4-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-1-ol?
4-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-1-ol has a molecular weight of 259.69 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-1-ol is sourced from PubChem (CID 103888945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).